| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
B |
240 |
59 |
13961 |
◊ |
A |
x,y,z |
1_555 |
234 |
59 |
13905 |
2297.5 |
-10.9 |
0.411 |
40 |
18 |
0 |
0.141 |
| 2 |
2 |
|
A |
95 |
31 |
13905 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
84 |
24 |
13905 |
795.0 |
-5.0 |
0.392 |
11 |
3 |
0 |
0.000 |
| 3 |
3 |
|
A |
45 |
20 |
13905 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
54 |
17 |
13961 |
480.5 |
-4.6 |
0.208 |
8 |
6 |
0 |
0.000 |
| 4 |
4 |
|
B |
27 |
9 |
13961 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
24 |
9 |
13961 |
241.1 |
0.4 |
0.665 |
3 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[TOY]B:302 |
16 |
1 |
632 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
13961 |
177.4 |
-2.9 |
0.475 |
3 |
0 |
0 |
0.039 |
6 |
|
[TOY]A:301 |
17 |
1 |
631 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
13905 |
177.3 |
-2.8 |
0.512 |
4 |
0 |
0 |
0.039 |
| Average: |
177.4 |
-2.8 |
0.494 |
4 |
0 |
0 |
0.039 |
| 6 |
7 |
|
[TOY]A:301 |
17 |
1 |
631 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
13961 |
168.4 |
-2.5 |
0.553 |
0 |
0 |
0 |
0.021 |
8 |
|
[TOY]B:302 |
19 |
1 |
632 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
13905 |
164.6 |
-2.1 |
0.604 |
0 |
0 |
0 |
0.021 |
| Average: |
166.5 |
-2.3 |
0.578 |
0 |
0 |
0 |
0.021 |
| 7 |
9 |
|
A |
18 |
7 |
13905 |
◊ |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
15 |
4 |
13961 |
168.3 |
-0.3 |
0.445 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[IOD]A:305 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
13905 |
88.9 |
-0.2 |
0.690 |
0 |
0 |
0 |
0.003 |
11 |
|
[IOD]B:308 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
13961 |
88.1 |
-0.4 |
0.631 |
0 |
0 |
0 |
0.003 |
| Average: |
88.5 |
-0.3 |
0.661 |
0 |
0 |
0 |
0.003 |
| 9 |
12 |
|
[EDO]A:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
13905 |
86.8 |
2.7 |
0.499 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[IOD]B:309 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
13961 |
81.7 |
0.1 |
0.754 |
0 |
0 |
0 |
0.000 |
14 |
|
[IOD]A:306 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
13905 |
72.0 |
-0.1 |
0.723 |
0 |
0 |
0 |
0.000 |
| Average: |
76.9 |
-0.0 |
0.739 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[CL]B:310 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
13961 |
77.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.098 |
16 |
|
[CL]A:313 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13905 |
77.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.098 |
| Average: |
77.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.098 |
| 12 |
17 |
|
[IOD]B:305 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13961 |
77.2 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
|
[IOD]A:308 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
13905 |
76.1 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
76.6 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[IOD]B:307 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
13961 |
74.6 |
0.3 |
0.808 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[IOD]B:306 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
13961 |
73.7 |
-0.6 |
0.422 |
0 |
0 |
0 |
0.003 |
| 15 |
21 |
|
[EDO]B:303 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
13961 |
72.7 |
3.1 |
0.621 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[CL]B:314 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
13961 |
72.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.045 |
| 17 |
23 |
|
[CL]B:313 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13961 |
67.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.040 |
| 18 |
24 |
|
[IOD]A:304 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
13905 |
67.4 |
0.4 |
0.818 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
A |
11 |
3 |
13905 |
f |
[EDO]A:302 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
185 |
67.2 |
1.6 |
0.250 |
1 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[IOD]B:304 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
13961 |
66.6 |
-0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[CL]A:309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
13905 |
66.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.041 |
| 22 |
28 |
|
A |
10 |
4 |
13905 |
f |
[EDO]B:303 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
184 |
63.4 |
1.3 |
0.704 |
1 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[IOD]A:303 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
13905 |
62.6 |
-0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[CL]A:312 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13905 |
62.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.038 |
| 25 |
31 |
|
[CL]A:315 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
13905 |
61.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.040 |
| 26 |
32 |
|
[CL]B:312 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
13961 |
60.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.033 |
| 27 |
33 |
|
[CL]B:311 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
13961 |
59.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.073 |
34 |
|
[CL]A:311 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
13905 |
56.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
58.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.073 |
| 28 |
35 |
|
[IOD]A:307 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
13905 |
59.4 |
-0.3 |
0.577 |
0 |
0 |
0 |
0.000 |
| 29 |
36 |
|
[CL]A:314 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
11 |
4 |
13905 |
53.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[CL]A:317 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
13961 |
50.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.055 |
38 |
|
[CL]A:318 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
13905 |
48.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.055 |
| Average: |
49.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.055 |
| 31 |
39 |
|
[CL]A:310 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13905 |
50.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.059 |
40 |
|
[CL]A:319 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13961 |
48.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
49.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.059 |
| 32 |
41 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
13961 |
49.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.058 |
42 |
|
[CL]A:316 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
13905 |
48.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.058 |
| Average: |
48.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.058 |
| 33 |
43 |
|
B |
9 |
3 |
13961 |
◊ |
[CL]B:312 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
125 |
45.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
44 |
|
[CL]A:314 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13905 |
45.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.028 |
| 35 |
45 |
|
A |
10 |
5 |
13905 |
f |
[IOD]A:307 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
144 |
42.4 |
-0.4 |
0.623 |
0 |
0 |
0 |
0.002 |
| 36 |
46 |
|
[CL]A:316 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
13961 |
38.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.034 |
47 |
|
[CL]B:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
13905 |
37.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
38.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.034 |
| 37 |
48 |
|
[CL]A:319 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13905 |
36.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.024 |
49 |
|
[CL]A:310 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
13961 |
28.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
32.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.024 |
| 38 |
50 |
|
[IOD]A:303 |
1 |
1 |
144 |
◊ |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
5 |
1 |
13961 |
33.2 |
0.6 |
0.923 |
0 |
0 |
0 |
0.000 |
| 39 |
51 |
|
[IOD]A:304 |
1 |
1 |
144 |
f |
B |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
13961 |
31.6 |
-0.3 |
0.571 |
0 |
0 |
0 |
0.001 |
| 40 |
52 |
|
[CL]A:318 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13961 |
31.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.024 |
53 |
|
[CL]A:317 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13905 |
27.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
29.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.024 |
| 41 |
54 |
|
[CL]A:312 |
1 |
1 |
125 |
f |
[IOD]A:306 |
x,y,z |
1_555 |
1 |
1 |
144 |
24.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.011 |
| 42 |
55 |
|
[CL]A:319 |
1 |
1 |
125 |
◊ |
[CL]A:310 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.020 |
| 43 |
56 |
|
[IOD]A:304 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13961 |
20.3 |
-0.3 |
0.416 |
0 |
0 |
0 |
0.000 |
| 44 |
57 |
|
[CL]A:312 |
1 |
1 |
125 |
f |
[TOY]A:301 |
x,y,z |
1_555 |
3 |
1 |
631 |
19.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.009 |
| 45 |
58 |
|
[CL]B:313 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13905 |
19.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.010 |
| 46 |
59 |
|
[IOD]B:309 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13905 |
18.6 |
-0.3 |
0.340 |
0 |
0 |
0 |
0.002 |
60 |
|
[IOD]A:306 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13961 |
16.1 |
-0.3 |
0.349 |
0 |
0 |
0 |
0.002 |
| Average: |
17.3 |
-0.3 |
0.344 |
0 |
0 |
0 |
0.002 |
| 47 |
61 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
[CL]A:317 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| 48 |
62 |
|
[CL]A:316 |
1 |
1 |
125 |
◊ |
[IOD]B:309 |
x,y,z |
1_555 |
1 |
1 |
144 |
14.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 49 |
63 |
|
[CL]B:310 |
1 |
1 |
125 |
f |
[IOD]B:308 |
x,y,z |
1_555 |
1 |
1 |
144 |
13.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| 50 |
64 |
|
[CL]A:313 |
1 |
1 |
125 |
f |
[IOD]A:305 |
x,y,z |
1_555 |
1 |
1 |
144 |
13.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 51 |
65 |
|
[CL]A:318 |
1 |
1 |
125 |
f |
[CL]A:316 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.012 |
| 52 |
66 |
|
[CL]B:301 |
1 |
1 |
125 |
◊ |
[IOD]A:306 |
x,y,z |
1_555 |
1 |
1 |
144 |
12.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 53 |
67 |
|
[IOD]B:304 |
1 |
1 |
144 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
13961 |
11.2 |
0.4 |
0.967 |
0 |
0 |
0 |
0.000 |
| 54 |
68 |
|
[CL]B:313 |
1 |
1 |
125 |
f |
[IOD]B:307 |
x,y,z |
1_555 |
1 |
1 |
144 |
5.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 55 |
69 |
|
[CL]A:318 |
1 |
1 |
125 |
◊ |
[TOY]B:302 |
x,y,z |
1_555 |
1 |
1 |
632 |
4.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 56 |
70 |
|
[CL]A:309 |
1 |
1 |
125 |
◊ |
[IOD]A:304 |
x,y,z |
1_555 |
1 |
1 |
144 |
2.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|